Vitas-M small molecule compound

methyl 4-methyl-3-({2-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate

Catalog ID
STL254712
SMILES COC(=O)c1ccc(c(c1)NC(=O)C(Sc1ccc(cc1)C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H21NO3S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S/c1-12-5-9-16(10-6-12)24-14(3)18(21)20-17-11-15(19(22)23-4)8-7-13(17)2/h5-11,14H,1-4H3,(H,20,21)
InChIKey
XJZIQNCERSNNBQ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C
InChI=1SC19H21NO3Sc1125916(10612)2414(3)18(21)20171115(19(22)234)8713(17)2h51114H14H3(H2021)
methyl4methyl3((2((4methylphenyl)sulfanyl)propanoyl)amino)benzoate
METHYL4METHYL3(2(4METHYLPHENYL)SULFANYLPROPANOYLAMINO)BENZOATE
MFCD04214339
ZINC000000555039
ZINC000000555040

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.